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Magnesium in PDB 3fpb: The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp

Enzymatic activity of The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp

All present enzymatic activity of The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp:
3.6.3.8;

Protein crystallography data

The structure of The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp, PDB code: 3fpb was solved by K.Moncoq, J.P.Morth, M.Bublitz, M.Laursen, P.Nissen, H.S.Young, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.94 / 2.55
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 175.360, 69.870, 143.500, 90.00, 107.16, 90.00
R / Rfree (%) 18.3 / 23.1

Other elements in 3fpb:

The structure of The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Potassium (K) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp (pdb code 3fpb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp, PDB code: 3fpb:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 3fpb

Go back to Magnesium Binding Sites List in 3fpb
Magnesium binding site 1 out of 3 in the The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg995

b:37.5
occ:1.00
 F4 A:MF4996 2.0 34.6 1.0
OD1 A:ASP703 2.0 56.0 1.0
O A:HOH1053 2.2 41.8 1.0
O A:THR353 2.2 44.8 1.0
OD2 A:ASP351 2.3 54.3 1.0
O A:HOH1063 2.3 34.1 1.0
CG A:ASP703 2.9 51.2 1.0
CG A:ASP351 3.0 43.9 1.0
OD2 A:ASP703 3.1 57.9 1.0
OD1 A:ASP351 3.2 34.8 1.0
C A:THR353 3.4 41.7 1.0
MG A:MF4996 3.6 47.5 1.0
OD2 A:ASP707 3.9 44.7 1.0
OG1 A:THR355 4.1 49.1 1.0
CA A:THR353 4.1 35.1 1.0
N A:GLY704 4.2 46.9 1.0
N A:THR353 4.2 40.5 1.0
CB A:ASP703 4.3 38.5 1.0
CB A:THR353 4.3 32.4 1.0
CB A:ASP351 4.4 41.2 1.0
N A:ASP703 4.4 45.9 1.0
N A:GLY354 4.4 36.2 1.0
CA A:GLY182 4.5 33.1 1.0
O A:GLY182 4.5 30.9 1.0
F3 A:MF4996 4.6 38.2 1.0
CA A:GLY354 4.6 36.6 1.0
CA A:ASP703 4.7 43.0 1.0
C A:ASP703 4.7 40.9 1.0
CA A:GLY704 4.7 42.4 1.0
N A:THR355 4.8 49.5 1.0
C A:LYS352 4.8 48.1 1.0
F1 A:MF4996 4.8 43.8 1.0
CG2 A:THR353 4.9 28.2 1.0
C A:GLY354 4.9 48.1 1.0
CG A:ASP707 5.0 47.2 1.0
F2 A:MF4996 5.0 58.2 1.0
C A:GLY182 5.0 39.5 1.0

Magnesium binding site 2 out of 3 in 3fpb

Go back to Magnesium Binding Sites List in 3fpb
Magnesium binding site 2 out of 3 in the The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg996

b:47.5
occ:1.00
 MG A:MF4996 0.0 47.5 1.0
F1 A:MF4996 1.9 43.8 1.0
F3 A:MF4996 2.0 38.2 1.0
F4 A:MF4996 2.0 34.6 1.0
F2 A:MF4996 2.0 58.2 1.0
OD1 A:ASP351 2.1 34.8 1.0
CG A:ASP351 3.3 43.9 1.0
OG1 A:THR625 3.4 39.5 1.0
MG A:MG995 3.6 37.5 1.0
O A:HOH1053 3.7 41.8 1.0
N A:GLY626 3.8 35.6 1.0
O A:THR181 3.8 40.7 1.0
OD2 A:ASP351 3.8 54.3 1.0
N A:THR353 3.9 40.5 1.0
CB A:THR353 4.0 32.4 1.0
NZ A:LYS684 4.1 36.5 1.0
CA A:GLY182 4.1 33.1 1.0
CA A:THR625 4.1 40.3 1.0
ND2 A:ASN706 4.1 29.1 1.0
N A:LYS352 4.2 34.4 1.0
OE1 A:GLU183 4.2 59.6 1.0
CB A:THR625 4.3 40.0 1.0
OG1 A:THR353 4.3 29.2 1.0
O A:THR353 4.4 44.8 1.0
CA A:THR353 4.5 35.1 1.0
C A:THR625 4.5 41.4 1.0
O A:ILE624 4.5 42.0 1.0
CB A:ASP351 4.6 41.2 1.0
O A:HOH1063 4.6 34.1 1.0
CA A:GLY626 4.6 35.4 1.0
C A:GLY182 4.7 39.5 1.0
C A:THR181 4.7 36.4 1.0
C A:LYS352 4.7 48.1 1.0
CA A:LYS352 4.8 38.0 1.0
O A:GLY182 4.8 30.9 1.0
N A:GLY182 4.9 37.6 1.0
CA A:ASP351 4.9 41.8 1.0
N A:ASP627 5.0 38.8 1.0
C A:THR353 5.0 41.7 1.0

Magnesium binding site 3 out of 3 in 3fpb

Go back to Magnesium Binding Sites List in 3fpb
Magnesium binding site 3 out of 3 in the The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of The Structure of Sarcoplasmic Reticulum CA2+-Atpase Bound to Cyclopiazonic Acid with Atp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1000

b:0.2
occ:1.00
 OE1 A:GLN56 1.9 0.7 1.0
O A:HOH1192 2.0 76.9 1.0
O A:HOH1066 2.2 92.8 1.0
O1 A:CZA1001 2.4 99.6 1.0
O2 A:CZA1001 2.4 0.1 1.0
O A:HOH1065 2.6 81.8 1.0
CD A:GLN56 3.1 0.4 1.0
C6 A:CZA1001 3.1 0.4 1.0
C2 A:CZA1001 3.3 0.2 1.0
C3 A:CZA1001 3.5 0.6 1.0
NE2 A:GLN56 3.9 0.3 1.0
CG A:GLN56 4.2 0.5 1.0
CB A:GLN56 4.2 0.1 1.0
O A:GLN56 4.3 0.9 1.0
CA A:ALA102 4.4 0.2 1.0
O A:ASN101 4.4 0.2 1.0
CA A:GLY105 4.5 0.8 1.0
C5 A:CZA1001 4.6 0.7 1.0
CA A:GLN56 4.6 0.7 1.0
C1 A:CZA1001 4.7 83.8 1.0
C4 A:CZA1001 4.8 0.6 1.0
C A:ASN101 4.9 0.5 1.0
C A:GLN56 4.9 0.6 1.0
N A:ALA102 4.9 0.7 1.0
CB A:ALA102 5.0 0.5 1.0
O A:ALA102 5.0 0.2 1.0

Reference:

M.Laursen, M.Bublitz, K.Moncoq, C.Olesen, J.V.Moller, H.S.Young, P.Nissen, J.P.Morth. Cyclopiazonic Acid Is Complexed to A Divalent Metal Ion When Bound to the Sarcoplasmic Reticulum CA2+-Atpase. J.Biol.Chem. V. 284 13513 2009.
ISSN: ISSN 0021-9258
PubMed: 19289472
DOI: 10.1074/JBC.C900031200
Page generated: Wed Aug 14 13:50:19 2024

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